N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide

C18H22N2O4S — CID 31285107

IUPACN-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(11-12-24-15-7-5-14(23-2)6-8-15)17(21)9-10-19-18(22)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3,(H,19,22)
InChIKeyAQPOWBMMBUHNGP-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.41
Rot. Bonds9

About N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 31285107) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID31285107
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(11-12-24-15-7-5-14(23-2)6-8-15)17(21)9-10-19-18(22)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3,(H,19,22)
InChIKeyAQPOWBMMBUHNGP-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18093718
N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18119353
N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 31285164
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115902337
N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide (CID 31285107) is N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide is COc1ccc(OCCN(C)C(=O)CCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is AQPOWBMMBUHNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(11-12-24-15-7-5-14(23-2)6-8-15)17(21)9-10-19-18(22)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 31285107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).